1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine

C17H27NO2 — CID 104749060

IUPAC1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine
SMILESCOCCc1ccc(OCC(N)C2CCCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-19-12-11-14-7-9-16(10-8-14)20-13-17(18)15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-13,18H2,1H3
InChIKeyKBGBYRNRUWKOKI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.16
Rot. Bonds7

About 1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine

1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine (PubChem CID 104749060) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine
PubChem CID104749060
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine
SMILESCOCCc1ccc(OCC(N)C2CCCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-19-12-11-14-7-9-16(10-8-14)20-13-17(18)15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-13,18H2,1H3
InChIKeyKBGBYRNRUWKOKI-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine
CID 65018593
cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198323
1-cyclopentyl-2-(3,5-dimethoxyphenoxy)ethanamine
CID 104749121
1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine
CID 104748507
1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
CID 65446100
1-cyclohexyl-2-(2-methoxyethoxy)ethanamine
CID 104748661
2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
CID 63914876
1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 104751852
[2-[4-(2-methoxyethyl)phenoxy]cyclohexyl]methanamine
CID 43294234
1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine
CID 104749742
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
2-[4-(2-methoxyethyl)phenoxy]-1-phenylethanol
CID 60730618

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine?
The IUPAC name of 1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine (CID 104749060) is 1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine.
What is the SMILES notation for 1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine?
The canonical SMILES for 1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine is COCCc1ccc(OCC(N)C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine?
The InChIKey is KBGBYRNRUWKOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-19-12-11-14-7-9-16(10-8-14)20-13-17(18)15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-13,18H2,1H3.
What are the key properties of 1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine?
1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine is sourced from PubChem (CID 104749060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).